Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aromatase' and Ligand = 'BDBM50398449'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Aromatase (Homo sapiens (Human))	BDBM50398449 (CHEMBL2179113) Show SMILES CCCCCCCC#CCO[C@@H]1C[C@H]2[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)C=CC(=O)C=C12 |r,c:28,t:32| Show InChI InChI=1S/C29H40O3/c1-4-5-6-7-8-9-10-11-18-32-26-20-22-23-12-13-27(31)29(23,3)17-15-24(22)28(2)16-14-21(30)19-25(26)28/h14,16,19,22-24,26H,4-9,12-13,15,17-18,20H2,1-3H3/t22-,23-,24-,26+,28+,29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Upstate Medical University Curated by ChEMBL					Assay Description Inhibition of human placental aromatase using [3H]-1beta-androstenedione as substrate after 16 hrs by [3H]-water method				J Med Chem 55: 8464-76 (2012) Article DOI: 10.1021/jm300930n BindingDB Entry DOI: 10.7270/Q2BZ675S
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